[2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C24H21ClN4O5S MolecularWeight: 512.96534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)N4N=C5C=CC=CC5=N4

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C24H21ClN4O5S/c1-16-6-9-23(22(14-16)29-26-20-4-2-3-5-21(20)27-29)34-24(30)18-15-17(7-8-19(18)25)35(31,32)28-10-12-33-13-11-28/h2-9,14-15H,10-13H2,1H3